Growth and Characterization of Pure and Magnesium Doped Copper Cadmium Oxalate Single Crystals

Rohith, P. S.; Jagannatha, N.; Pradeepkumar, K.

doi:10.1016/j.matpr.2019.02.084

Cited by 13 publications

(4 citation statements)

References 16 publications

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“…All bond angles and interatomic distances of different groups in PPOXH are recorded in Table 2. OW1-HW1B 0.882 (19) Symmetry code: i −x, −y, −z + 1.…”

Section: Structure Description and Geometrical Parametersmentioning

confidence: 99%

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Role of Non-Covalent Interactions in Novel Supramolecular Compound, Bis(4-phenylpiperazin-1-ium) Oxalate Dihydrate: Synthesis, Molecular Structure, Thermal Characterization, Spectroscopic Properties and Quantum Chemical Study

Jemai,

Khalfi,

Issaoui

et al. 2023

Crystals

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The stoichiometric ratio 2:1 mix of 1-phenylpiperazine and oxalic acid dihydrate followed by slow evaporation results ina new material, bis(4-phenylpiperazin-1-ium) oxalate dihydrate, with the general chemical formula (C10H15N2)2(C2O4).2H2O, indicated by PPOXH. The title compound’s asymmetric unit and three-dimensional network have been determined by single crystal X-ray diffraction. Intermolecular O-H…O, N-H...O and C-H...O hydrogen bonding assist in maintaining and stabilization of the crystal structure of this new compound. Hirshfeld surface analysis and two-dimensional fingerprints have been performed to quantify the non-covalent interactions in the PPOXH structure. The vibrational modes of the different characteristic groups of the title chemical were identified using infrared spectrum analysis. The thermal characterization of this product was studied by a coupled TG/DTA analysis. The ultraviolet-visible absorption spectrum has been used to study the optical properties and the energy gap of this compound. DFT calculations were employed to evaluate the composition and properties of PPOXH. The analysis of HOMO-LUMO frontier orbitals analysis allows us to understand the chemical reactivity of this supramolecular compound and to determine the electrophilic and nucleophilic sites responsible for electron transfer. Topological analysis (AIM), reduced density gradient (RDG), molecular electrostatic potential surface (MEPS) and Mulliken population were analyzed to evaluate the types of non-covalent interactions, localization of electrons in space, atomic charges and molecular polarity in depth.

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“…All bond angles and interatomic distances of different groups in PPOXH are recorded in Table 2. OW1-HW1B 0.882 (19) Symmetry code: i −x, −y, −z + 1.…”

Section: Structure Description and Geometrical Parametersmentioning

confidence: 99%

“…This increases the possibility of crystal formation [11]. Recently, oxalic acid is among the carboxylic acids widely used for the complexation of new materials with interesting properties [12][13][14][15][16][17][18][19][20][21]. Specifically, oxalic acid is a dicarboxylic acid with the chemical formula C 2 H 2 O 4 .…”

Section: Introductionmentioning

confidence: 99%

Role of Non-Covalent Interactions in Novel Supramolecular Compound, Bis(4-phenylpiperazin-1-ium) Oxalate Dihydrate: Synthesis, Molecular Structure, Thermal Characterization, Spectroscopic Properties and Quantum Chemical Study

Jemai,

Khalfi,

Issaoui

et al. 2023

Crystals

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“…Crystal growth is a unique field of research in science, where highest ordered substances are developed. Of the various crystal growth methods, crystals grown from gels stand unique because of their special properties like water insolubility, purity, mechanical strength and thermal stabilities [1][2][3][4]. The literature review has reported the growth kinetics and properties of many pure, doped and mixed crystals.…”

Section: Introductionmentioning

confidence: 99%

Impact of Al3+ Ions Incorporation on the Enhancement of Optical and Electrical Properties of Cadmium Oxalate Crystals

Ganavi,

Jagannatha,

Nagaraja

et al. 2024

ajc

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Aluminium (impurity ion) incorporated cadmium oxalate (ACO) crystals were grown in a silica hydrogel media by diffusion technique. ACO crystals emerged with the dimension 6´2´1.5 mm3 at the optimizing parameters of gel pH 4.2, gel density 1.01 g cm-3, SMS: oxalic acid of 5:4 and supernatant mixture at an equal ratio (1:1). Further, the extracted crystals were analyzed by employing Energy dispersive X-ray analysis (EDAX), Fourier transform infrared (FTIR) spectroscopy and Thermogravimetric (TG) studies. EDAX measurements confirmed the presence of cations at the ratio Cd2+:Al3+= 65.67:1. FTIR spectra identified O-H, C-C, C-O, C=O and M-O bonds in the crystal armature. TG analysis showed two decomposition phases of foregrounded crystals with thermal stability up to 1076.79 oC in the metal oxide state with minimum change in entropy (∆S = -266.95 J mol-1 K-1). ACO crystal crystallized in a triclinic system. The optical and electrical behaviors of ACO crystals were compared with pure cadmium oxalate crystals. ACO crystals showed complete transparency to visible light and maximum absorption in the UV region like pure/parent crystals but the energy gap was reduced to 5.90 eV. The leakage resistance of ACO crystals was also reduced to 6.583 GΩ and the electrical conductivity coefficient was enhanced to 0.152 S m-1 oC-1 from parent cadmium oxalate crystals.

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“…[ 4,5 ] Oxalic acid‐based metal oxalate crystals such as barium oxalate, calcium oxalate, cadmium oxalate, strontium oxalate, and zirconium oxalate crystals have found potential applications in pyro technology and optoelectronic industries since these metal oxalate have high optical perfection, wide morphology, quite a bandgap energy, and thermal stability. [ 6,7 ] Mostly, the metal oxalate crystals were grown through the gel method by single diffusion technique and reported that the gel method was suitable for the growth of well‐developed and notably transparent crystals of pure metal oxalates. [ 8–11 ] Glycine (NH 2 CH 2 COOH) is the simplest amino acid and exhibits three polymeric crystalline forms α, β, and γ.…”

Section: Introductionmentioning

confidence: 99%

Characterization Studies of Solution Grown Triglycine Oxalate Single Crystals

Premkumar

2022

Crystal Research and Technology

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Triglycine oxalate single crystal is grown by a slow evaporation technique from the saturated solution at the predetermined temperature. X‐ray diffraction studies of the grown crystal reveal that the grown crystal belongs to a monoclinic structure. The presence of elements and various functional groups of the triglycine oxalate is found in the Fourier transform infrared analysis. Optical transparency of the grown crystals is found to have the maximum transparency in the entire visible region. Thermogravimetric analysis shows that the grown crystals have three stages of decomposition. The microhardness of the grown crystals exhibits that the crystal is a soft material. The electrical studies such as dielectric constant, and dielectric loss are determined for the frequency range from 100 Hz to 200 kHz at different temperatures.

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Growth and Characterization of Pure and Magnesium Doped Copper Cadmium Oxalate Single Crystals

Cited by 13 publications

References 16 publications

Role of Non-Covalent Interactions in Novel Supramolecular Compound, Bis(4-phenylpiperazin-1-ium) Oxalate Dihydrate: Synthesis, Molecular Structure, Thermal Characterization, Spectroscopic Properties and Quantum Chemical Study

Role of Non-Covalent Interactions in Novel Supramolecular Compound, Bis(4-phenylpiperazin-1-ium) Oxalate Dihydrate: Synthesis, Molecular Structure, Thermal Characterization, Spectroscopic Properties and Quantum Chemical Study

Impact of Al3+ Ions Incorporation on the Enhancement of Optical and Electrical Properties of Cadmium Oxalate Crystals

Characterization Studies of Solution Grown Triglycine Oxalate Single Crystals

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